CID 53185

Brn 2303921

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)OCC(=O)O
InChI
InChI=1S/C17H16O6/c1-21-12-5-3-11(4-6-12)17(20)14-8-7-13(22-2)9-15(14)23-10-16(18)19/h3-9H,10H2,1-2H3,(H,18,19)
InChIKey
VBRKMPXAGKGMJP-UHFFFAOYSA-N
Compound name
2-[5-methoxy-2-(4-methoxybenzoyl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0947 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10198 170.4
[M+Na]+ 339.08392 182.8
[M+NH4]+ 334.12852 175.9
[M+K]+ 355.05786 178.0
[M-H]- 315.08742 172.1
[M+Na-2H]- 337.06937 176.5
[M]+ 316.09415 172.4
[M]- 316.09525 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.